1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid

C15H26N2O3 — CID 106742867

IUPAC1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H26N2O3/c1-10-8-13(15(19)20)6-7-17(10)14(18)12-4-2-11(9-16)3-5-12/h10-13H,2-9,16H2,1H3,(H,19,20)
InChIKeyNIPCDHHHJLIYAP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds3

About 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid

1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742867) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106742867
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H26N2O3/c1-10-8-13(15(19)20)6-7-17(10)14(18)12-4-2-11(9-16)3-5-12/h10-13H,2-9,16H2,1H3,(H,19,20)
InChIKeyNIPCDHHHJLIYAP-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid (CID 106742867) is 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)C1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is NIPCDHHHJLIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-8-13(15(19)20)6-7-17(10)14(18)12-4-2-11(9-16)3-5-12/h10-13H,2-9,16H2,1H3,(H,19,20).
What are the key properties of 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).